1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C22H23ClFN4O+ MolecularWeight: 413.895623

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CN(N=C2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22ClFN4O/c23-20-4-2-1-3-19(20)21-16(13-27-11-9-15(10-12-27)22(25)29)14-28(26-21)18-7-5-17(24)6-8-18/h1-8,14-15H,9-13H2,(H2,25,29)/p+1